(5S)-5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene

C12H18O2 — CID 67738092

IUPAC(5S)-5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene
SMILESC=CCC1=C(C)[C@@H](OCOC)CC1=C
InChIInChI=1S/C12H18O2/c1-5-6-11-9(2)7-12(10(11)3)14-8-13-4/h5,12H,1-2,6-8H2,3-4H3/t12-/m0/s1
InChIKeyGMCHQJKTILWSTQ-LBPRGKRZSA-N
MW194.27 g/mol
LogP2.83
Rot. Bonds5

About (5S)-5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene

(5S)-5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene (PubChem CID 67738092) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (5S)-5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene.

Molecular Properties

Compound Name(5S)-5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene
PubChem CID67738092
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(5S)-5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene
SMILESC=CCC1=C(C)[C@@H](OCOC)CC1=C
InChIInChI=1S/C12H18O2/c1-5-6-11-9(2)7-12(10(11)3)14-8-13-4/h5,12H,1-2,6-8H2,3-4H3/t12-/m0/s1
InChIKeyGMCHQJKTILWSTQ-LBPRGKRZSA-N
XLogP2.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5S)-5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene?
The IUPAC name of (5S)-5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene (CID 67738092) is (5S)-5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene.
What is the SMILES notation for (5S)-5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene?
The canonical SMILES for (5S)-5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene is C=CCC1=C(C)[C@@H](OCOC)CC1=C.
What is the InChIKey of (5S)-5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene?
The InChIKey is GMCHQJKTILWSTQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18O2/c1-5-6-11-9(2)7-12(10(11)3)14-8-13-4/h5,12H,1-2,6-8H2,3-4H3/t12-/m0/s1.
What are the key properties of (5S)-5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene?
(5S)-5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene has a molecular weight of 194.27 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene is sourced from PubChem (CID 67738092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).